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Computational Chemistry Comparison and Benchmark DataBase
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| Release 22 | May 2022 |
| NIST Standard Reference Database 101 | |
| I | Introduction |
| II | Experimental data |
| III | Calculated data |
| IV | Data comparisons |
| V | Cost comparisons |
| VI | Input and output files |
| VII | Tutorials and Units |
| VIII | Links to other sites |
| IX | Feedback |
| X | Older CCCBDB versions |
| XII | Geometries |
| XIII | Vibrations |
| XIV | Reaction data |
| XV | Entropy data |
| XVI | Bibliographic data |
| XVII | Ion data |
| XVIII | Bad calculations |
| XIX | Index of properties |
| XX | H-bond dimers |
| XXI | Oddities |
The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.
Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.
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II.B.3. (XII.A.3.) |